Basic information
- CAS
1394764-23-8- Standard SMILES
COc1cc(NC(N)=O)ccc1Br- InChIKey
JPWYCOZPDOEBIO-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2O2
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.98474
Names & identifiers
- Preferred name
- (4-Bromo-3-methoxyphenyl)urea
- IUPAC
- (4-bromo-3-methoxyphenyl)urea
Names & synonyms
(4-bromo-3-methoxyphenyl)urea1394764-23-8RefChem:402516897-281-21-(4-Bromo-3-methoxyphenyl)ureaSCHEMBL19661750AKOS017975327CS-0293097Z1321379839
Database identifiers
- CAS
1394764-23-8- PubChem CID
- 71925251
- EC Number
- 897-281-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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